SCHEMBL19630912

SCHEMBL19630912

CCC1CC2CC3c4oc5ccc(O)cc5c4C[C@@H](CC4C5CC6c7oc8ccc(O)cc8c7C[C@H](CC78CC(CC)C9C(C7)c7oc%10ccc(O)cc%10c7C[C@@H](C)N9C8)N(C5)C6C4CC)N(C2)C13

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRK1 P41145 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19630880 0.91 SLC6A4 (0.35) SLC6A4
SCHEMBL26326411 0.90 SLC6A4 (0.38) SLC6A4OPRM1OPRK1
SCHEMBL26326406 0.80 SLC6A4 (0.40) SLC6A4
SCHEMBL17793531 0.79 SLC6A4 (0.46) SLC6A4OPRM1OPRK1
SCHEMBL17793566 0.79 SLC6A4 (0.46) SLC6A4OPRM1OPRK1
SCHEMBL17793530 0.79 SLC6A4 (0.46) SLC6A4OPRM1OPRK1
SCHEMBL17793529 0.78 SLC6A4 (0.43) SLC6A4OPRM1OPRK1
SCHEMBL26325419 0.72 SLC6A4 (0.48) SLC6A4OPRM1OPRK1
SCHEMBL17793574 0.72 SLC6A4 (0.37) SLC6A4OPRM1OPRK1
SCHEMBL19627131 0.70 SLC6A4 (0.35) SLC6A4OPRM1OPRK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 SLC6A4 323/4885OPRM1 1/4885OPRK1 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback